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Compound Detail

CHEMBL1830913

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c1cc(Nc2nc3c(s2)CCCc2n[nH]cc2-3)nc(N2CCCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1830913
Phase Preclinical
Structure Type MOL
InChI Key YLHPKBZVQSDZJT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

352.5
MW (Da)
3.76
ALogP
6
HBA
2
HBD
69.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N6S
MW 352.47
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.32

Literature References

PubMed DOI Target Context # Activities
21688779 10.1021/jm200290z Metabotropic glutamate receptor 4 2
21688779 10.1021/jm200290z No relevant target 1
21688779 10.1021/jm200290z ADMET 1

Data from ChEMBL 36 via Core Engine